| Properties | Image |
|---|
| MNX_ID | MNXM525237 |
 |
| reference | slm:000486325 |
| formula | C95H160N5O47 |
| global charge | -3 |
| mol weight | 2124.313 |
| InChIKey | WIFMIIPKKOWWSN-KICYKVJCSA-K |
| InChI | InChI=1S/C95H163N5O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(118)100-52(53(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-134-87-75(125)74(124)78(62(45-106)137-87)139-89-77(127)85(147-95(92(132)133)39-56(115)67(98-50(5)110)83(145-95)73(123)61(44-105)142-93(90(128)129)37-54(113)65(96-48(3)108)81(143-93)69(119)57(116)40-101)79(63(46-107)138-89)140-86-68(99-51(6)111)80(71(121)59(42-103)135-86)141-88-76(126)84(72(122)60(43-104)136-88)146-94(91(130)131)38-55(114)66(97-49(4)109)82(144-94)70(120)58(117)41-102/h17,19,33,35,52-63,65-89,101-107,112-117,119-127H,7-16,18,20-32,34,36-47H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/p-3/b19-17+,35-33+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85+,86-,87+,88-,89-,93+,94-,95-/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C95H163N5O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(118)100-52(53(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-134-87-75(125)74(124)78(62(45-106)137-87)139-89-77(127)85(147-95(92(132)133)39-56(115)67(98-50(5)110)83(145-95)73(123)61(44-105)142-93(90(128)129)37-54(113)65(96-48(3)108)81(143-93)69(119)57(116)40-101)79(63(46-107)138-89)140-86-68(99-51(6)111)80(71(121)59(42-103)135-86)141-88-76(126)84(72(122)60(43-104)136-88)146-94(91(130)131)38-55(114)66(97-49(4)109)82(144-94)70(120)58(117)41-102/h17,19,33,35,52-63,65-89,101-107,112-117,119-127H,7-16,18,20-32,34,36-47H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b19-17+,35-33+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85+,86-,87+,88-,89-,93+,94-,95-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]/[CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:64](=[N:100][C@@H:52]([CH2:47][O:134][C@H:87]1[C@H:75]([OH:125])[C@@H:74]([OH:124])[C@H:78]([O:139][C@H:89]2[C@H:77]([OH:127])[C@@H:85]([O:147][C@:95]3([C:92](=[O:132])[OH:133])[CH2:39][C@H:56]([OH:115])[C@@H:67]([N:98]=[C:50]([CH3:5])[OH:110])[C@H:83]([C@@H:73]([C@@H:61]([CH2:44][OH:105])[O:142][C@:93]4([C:90](=[O:128])[OH:129])[CH2:37][C@H:54]([OH:113])[C@@H:65]([N:96]=[C:48]([CH3:3])[OH:108])[C@H:81]([C@@H:69]([C@@H:57]([CH2:40][OH:101])[OH:116])[OH:119])[O:143]4)[OH:123])[O:145]3)[C@@H:79]([O:140][C@H:86]3[C@H:68]([N:99]=[C:51]([CH3:6])[OH:111])[C@@H:80]([O:141][C@H:88]4[C@H:76]([OH:126])[C@@H:84]([O:146][C@:94]5([C:91](=[O:130])[OH:131])[CH2:38][C@H:55]([OH:114])[C@@H:66]([N:97]=[C:49]([CH3:4])[OH:109])[C@H:82]([C@@H:70]([C@@H:58]([CH2:41][OH:102])[OH:117])[OH:120])[O:144]5)[C@@H:72]([OH:122])[C@@H:60]([CH2:43][OH:104])[O:136]4)[C@@H:71]([OH:121])[C@@H:59]([CH2:42][OH:103])[O:135]3)[C@@H:63]([CH2:46][OH:107])[O:138]2)[C@@H:62]([CH2:45][OH:106])[O:137]1)[C@@H:53](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:112])[OH:118] |
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